2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

C12H14ClN5O — CID 55042022

IUPAC2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCCn2ccnc2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c13-10-6-9(7-11(14)17-10)12(19)16-2-1-4-18-5-3-15-8-18/h3,5-8H,1-2,4H2,(H2,14,17)(H,16,19)
InChIKeyZLRRRHNTZHEVJR-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.33
Rot. Bonds5

About 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 55042022) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID55042022
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCCn2ccnc2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c13-10-6-9(7-11(14)17-10)12(19)16-2-1-4-18-5-3-15-8-18/h3,5-8H,1-2,4H2,(H2,14,17)(H,16,19)
InChIKeyZLRRRHNTZHEVJR-UHFFFAOYSA-N
XLogP1.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 62242563
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (CID 55042022) is 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCCCn2ccnc2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is ZLRRRHNTZHEVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-10-6-9(7-11(14)17-10)12(19)16-2-1-4-18-5-3-15-8-18/h3,5-8H,1-2,4H2,(H2,14,17)(H,16,19).
What are the key properties of 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 55042022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).